| CAS Number | 25542-64-7 |
| Catalog Number | AG00BUU7(AGN-PC-0LPX76) |
| Chemical Name | 8-Oxononanoic acid |
| IUPAC Name | 8-oxononanoic acid |
| InChI | InChI=1S/C9H16O3/c1-8(10)6-4-2-3-5-7-9(11)12/h2-7H2,1H3,(H,11,12) |
| InChI Key | KNPGTJGXMGNBAY-UHFFFAOYSA-N |
| MDL Number | MFCD20638209 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | OC(CCCCCCC(C)=O)=O |
| Synonyms | 8-Oxononanoic acid,
8-oxo-nonanoic acid,
25542-64-7,
8-ketononanoic acid,
LMFA01060159,
8-Ketopelargonic acid,
AC1NSNWW,
SCHEMBL2342846,
KNPGTJGXMGNBAY-UHFFFAOYSA-N,
ZINC33822344,
AKOS033384856,
MCULE-6390414263,
NE50449,
Z1507502573,
FA(9:0(Ke)),
CID5312941,
N/A,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number